ChemSpider 2D Image | Dimethyl (3S,4S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxotetrahydro-3,4-furandicarboxylate | C24H22O11

Dimethyl (3S,4S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxotetrahydro-3,4-furandicarboxylate

  • Molecular FormulaC24H22O11
  • Average mass486.425 Da
  • Monoisotopic mass486.116211 Da
  • ChemSpider ID30816536

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3S,4S,5R)-5-(1,3-Benzodioxol-5-yl)-3-(3,4-diméthoxybenzoyl)-2-oxotétrahydro-3,4-furanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,4-Furandicarboxylic acid, 5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)tetrahydro-2-oxo-, dimethyl ester, (3S,4S,5R)- [ACD/Index Name]
Dimethyl (3S,4S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxotetrahydro-3,4-furandicarboxylate [ACD/IUPAC Name]
Dimethyl-(3S,4S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxotetrahydro-3,4-furandicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 660.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 283.9±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.45
ACD/KOC (pH 5.5): 509.13
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.45
ACD/KOC (pH 7.4): 509.13
Polar Surface Area: 133 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement